| CAS Number | 1396969-07-5 |
| Catalog Number | AG01A7WI |
| Chemical Name | 3-(1H-indol-3-yl)-2-(naphthalen-2-ylformamido)propanoic acid |
| IUPAC Name | 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid |
| InChI | InChI=1S/C22H18N2O3/c25-21(16-10-9-14-5-1-2-6-15(14)11-16)24-20(22(26)27)12-17-13-23-19-8-4-3-7-18(17)19/h1-11,13,20,23H,12H2,(H,24,25)(H,26,27) |
| InChI Key | IMROYEDZWIZGEE-UHFFFAOYSA-N |
| MDL Number | MFCD09045665 |
| Molecular Formula | C22H18N2O3 |
| Molecular Weight | 358.3899 |
| SMILES | OC(C(NC(C1=CC2=C(C=CC=C2)C=C1)=O)CC1C2=C(C=CC=C2)NC=1)=O |
| Synonyms | 3-(1H-indol-3-yl)-2-(naphthalen-2-ylformamido)propanoic acid,
1396969-07-5,
AC1Q71QI,
SCHEMBL1232691,
CTK7I4397,
AKOS000129706,
AKOS016885015,
MCULE-6941810485,
NE25017,
EN300-60011,
Z85881764,
3-(1H-indol-3-yl)-2-[(naphthalen-2-yl)formamido]propanoic acid,
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.397g/mol |
| Monoisotopic Mass | 358.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number